Compound Detail
CHEMBL95156
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Basic Information
| ChEMBL ID | CHEMBL95156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTUSHXOQDWBQDY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
4.74
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.8 | 6.775 | 16.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 9000.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 16.0 | nM | 7.8 | In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells s... | 9873621 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE... | 9873621 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE... | 9873621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873621 | 10.1016/s0960-894x(98)00499-5 | Rattus norvegicus | 3 |
| 9873621 | 10.1016/s0960-894x(98)00499-5 | Prostaglandin G/H synthase 2 | 2 |
| 9873621 | 10.1016/s0960-894x(98)00499-5 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine